3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide

C19H24N2O2 — CID 120609423

IUPAC3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1N
InChIInChI=1S/C19H24N2O2/c1-3-21(14-15-8-11-17(23-2)12-9-15)19(22)13-10-16-6-4-5-7-18(16)20/h4-9,11-12H,3,10,13-14,20H2,1-2H3
InChIKeyMWBKVBAQWCHCRG-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.26
Rot. Bonds7

About 3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide

3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 120609423) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID120609423
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1N
InChIInChI=1S/C19H24N2O2/c1-3-21(14-15-8-11-17(23-2)12-9-15)19(22)13-10-16-6-4-5-7-18(16)20/h4-9,11-12H,3,10,13-14,20H2,1-2H3
InChIKeyMWBKVBAQWCHCRG-UHFFFAOYSA-N
XLogP3.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 120609034
3-(2-aminophenyl)-N-ethyl-N-propylpropanamide
CID 43309247
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560791
4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 63307538
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide
CID 54872486
3-(2-aminophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide;hydrochloride
CID 120608072
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide
CID 63957099
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 64678742
N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide
CID 62589527
3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 120608876
ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate
CID 61022615
3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 107272887

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide (CID 120609423) is 3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide is CCN(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is MWBKVBAQWCHCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-21(14-15-8-11-17(23-2)12-9-15)19(22)13-10-16-6-4-5-7-18(16)20/h4-9,11-12H,3,10,13-14,20H2,1-2H3.
What are the key properties of 3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide?
3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 312.41 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 120609423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).